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Home> Hot Product Listed T   > TCMDC-124324
520-18-3 structure

TCMDC-124324

Iupac Name:3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CAS No.:520-18-3
Molecular Weight:286.2363
Molecular Formula:C6H10N2 (isomer)
Names and Identifiers
Synonyms

4-methyl-3-(piperidine-1-sulfonyl)-n-(2,3,4-trifluorophenyl)benzamide 4-methyl-3-piperidin-1-ylsulfonyl-n-(2,3,4-trifluorophenyl)benzamide AC1N0DDR AKOS000936236 CHEMBL530018 MCULE-7006076313 MOLPORT-003-201-729 Z30796532 ZINC6544700

Inchi
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
InChkey
IYRMWMYZSQPJKC-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Properties
Melting Point
276℃
Refractive Index
1.767
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S36
Hazard Note
H301; H341
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 520-18-3 EC: TCMDC-124324 ·ECHA C&L Inventory for CAS: CAS: 520-18-3 EC: TCMDC-124324
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Germ cell mutagenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H341 Suspected of causing genetic defects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:286.2363g/mol
  • Molecular Formula:C6H10N2
  • XLogP3-AA:1.9
  • Exact Mass:286.047738
  • Monoisotopic Mass:286.047738
  • Complexity:451
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:107
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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